{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "In" "In" "In" "In" "In" "In" "In" "In" ] } "a" { "source-value" [ 9.47315 8.838413 8.445029 8.159214 7.934598 7.74954 7.592171 7.455273 7.334129 7.225483 7.126997 7.036931 6.953959 6.877045 6.805363 6.738247 6.67515 6.615617 6.559268 6.505779 6.454873 6.406313 6.359892 6.31543 6.270481 6.22416 6.176382 6.127051 6.076065 6.023306 5.968648 5.91195 5.853052 5.791777 5.727925 5.66127 5.591554 5.518483 5.441718 5.360864 5.275462 5.184969 5.08874 4.985998 4.875797 4.756968 4.628045 4.487152 4.331838 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.47315e-10 8.838412999999999e-10 8.445029e-10 8.159214e-10 7.934598e-10 7.74954e-10 7.592171e-10 7.455273000000001e-10 7.334129e-10 7.225483e-10 7.126997e-10 7.036931e-10 6.953959e-10 6.877045e-10 6.805363e-10 6.738247000000001e-10 6.67515e-10 6.615617000000001e-10 6.559268e-10 6.505779000000001e-10 6.454873000000001e-10 6.406313e-10 6.359892e-10 6.31543e-10 6.270481e-10 6.224160000000001e-10 6.176382000000001e-10 6.127051e-10 6.076065000000001e-10 6.023306e-10 5.968648e-10 5.91195e-10 5.853052e-10 5.791777e-10 5.727925e-10 5.661270000000001e-10 5.591554e-10 5.518483e-10 5.441718e-10 5.360864e-10 5.275462e-10 5.184969e-10 5.08874e-10 4.985998000000001e-10 4.875797000000001e-10 4.756967999999999e-10 4.6280450000000003e-10 4.487152e-10 4.3318380000000007e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.405919 0.608449 0.786448 0.949589 1.10208 1.24493 1.37968 1.50635 1.62534 1.73688 1.84122 1.93857 2.02865 2.11144 2.18718 2.25575 2.31675 2.37006 2.41553 2.45304 2.48241 2.50348 2.51645 2.52083 2.51589 2.49935 2.46817 2.41868 2.34577 2.24308 2.1024 1.91305 1.66096 1.32762 0.887884 0.307767 -0.458929 -1.47805 -2.84215 -4.68388 -7.20029 -10.6875 -15.6062 -22.6889 -33.1449 -49.0535 -74.1613 -115.627 -188.102 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.503539370966459e-20 9.748427707806659e-20 1.260028609456032e-19 1.5214093077034259e-19 1.7657268247987198e-19 1.99459775696562e-19 2.21049105839712e-19 2.4134387726259e-19 2.6040817703055597e-19 2.7827885520619197e-19 2.94995966205348e-19 3.10593155737338e-19 3.2502556285640994e-19 3.3828998320929596e-19 3.50424869035212e-19 3.6141099421454996e-19 3.7118427168194996e-19 3.7972547531780396e-19 3.87010572472602e-19 3.93020337026736e-19 3.9772592980079394e-19 4.01101715968632e-19 4.0317973906292996e-19 4.03881492428622e-19 4.03090017171426e-19 4.0044001701879e-19 3.95444430273978e-19 3.87515258112312e-19 3.7583378827381795e-19 3.5938103641927195e-19 3.3684161553215994e-19 3.0650440096736996e-19 2.66115130200864e-19 2.12708174283108e-19 1.422546998502456e-19 4.93097096116278e-20 -7.35285320464986e-20 -2.3680971738837e-19 -4.5536263203231e-19 -7.50440309245992e-19 -1.1536136396023859e-18 -1.7123262775875e-18 -2.5003888985530798e-18 -3.63516254311626e-18 -5.3103984316266595e-18 -7.859237151591899e-18 -1.1881950200706418e-17 -1.8525487765951797e-17 -3.01372629208668e-17 ] } }